1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide

C11H11ClN4OS — CID 70994800

IUPAC1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(N)s1
InChIInChI=1S/C11H11ClN4OS/c12-6-3-8(11(15)17)10(14)16(4-6)5-7-1-2-9(13)18-7/h1-4,14H,5,13H2,(H2,15,17)/b14-10-
InChIKeyABDZKHNOMPKWHN-UVTDQMKNSA-N
MW282.76 g/mol
LogP1.41
Rot. Bonds3

About 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide

1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (PubChem CID 70994800) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
PubChem CID70994800
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(N)s1
InChIInChI=1S/C11H11ClN4OS/c12-6-3-8(11(15)17)10(14)16(4-6)5-7-1-2-9(13)18-7/h1-4,14H,5,13H2,(H2,15,17)/b14-10-
InChIKeyABDZKHNOMPKWHN-UVTDQMKNSA-N
XLogP1.41
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 89111989
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
CID 68662047
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 143660736
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563
5-chloro-2-imino-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59151603
5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151671
5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 66970134
[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]methanesulfinate;hydrochloride
CID 174627708
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151571
5-chloro-1-[(3,5-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534694
5-chloro-1-[(2,3-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534643

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (CID 70994800) is 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(N)s1.
What is the InChIKey of 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The InChIKey is ABDZKHNOMPKWHN-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-6-3-8(11(15)17)10(14)16(4-6)5-7-1-2-9(13)18-7/h1-4,14H,5,13H2,(H2,15,17)/b14-10-.
What are the key properties of 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 70994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).